Crystallography Open Database

Information card for entry 4104975

Preview

Coordinates	4104975.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	caesium copper(I) silver(I) cyanide hydrate, CsAgCu(CN)3.1/3H2O
Formula	C9 H2 Ag3 Cs3 Cu3 N9 O
Calculated formula	C9 H2 Ag3 Cs3 Cu3 N9 O
Title of publication	Helices, Chirality and Interpenetration: the Versatility and Remarkable Interconversion of Silver-Copper Cyanide Frameworks
Authors of publication	Ann M. Chippindale; Simon J. Hibble
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	12736 - 12744
a	6.976 ± 0.0001 Å
b	10.8809 ± 0.0002 Å
c	15.4101 ± 0.0003 Å
α	80.1383 ± 0.0008°
β	85.2979 ± 0.0008°
γ	86.04 ± 0.001°
Cell volume	1146.74 ± 0.03 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for all reflections	0.0452
Weighted residual factors for significantly intense reflections	0.0416
Weighted residual factors for all reflections included in the refinement	0.0416
Goodness-of-fit parameter for all reflections included in the refinement	1.0285
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4104975.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104975.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104975.cif
30152	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 4104975 via cif-deposit CGI script.	4104975.cif